2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine

C14H18ClN3O — CID 62854064

IUPAC2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C14H18ClN3O/c1-3-16-9-10(2)14-17-13(18-19-14)8-11-6-4-5-7-12(11)15/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyCFLITWWNKOWFOP-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.03
Rot. Bonds6

About 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine

2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine (PubChem CID 62854064) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
PubChem CID62854064
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
SMILESCCNCC(C)c1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C14H18ClN3O/c1-3-16-9-10(2)14-17-13(18-19-14)8-11-6-4-5-7-12(11)15/h4-7,10,16H,3,8-9H2,1-2H3
InChIKeyCFLITWWNKOWFOP-UHFFFAOYSA-N
XLogP3.03
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine (CID 62854064) is 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine is CCNCC(C)c1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
The InChIKey is CFLITWWNKOWFOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-3-16-9-10(2)14-17-13(18-19-14)8-11-6-4-5-7-12(11)15/h4-7,10,16H,3,8-9H2,1-2H3.
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine?
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine has a molecular weight of 279.77 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62854064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).